Information card for entry 1572162

Structure parameters

• Formula: C21 H31 Cl Cu N
• Calculated formula: C21 H31 Cl Cu N
• Title of publication: Streamlined synthetic assembly of α-chiral CAAC ligands and catalytic performance of their copper and ruthenium complexes.
• Authors of publication: Madron du Vigné, Adrien; Cramer, Nicolai
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13864 - 13871
• a: 9.6227 ± 0.0003 Å
• b: 8.2304 ± 0.0003 Å
• c: 12.9158 ± 0.0003 Å
• α: 90°
• β: 98.352 ± 0.002°
• γ: 90°
• Cell volume: 1012.07 ± 0.05 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No